UCSF

ZINC09008911

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 No

Popular Name: 4-[hydroxy-(3-methoxyphenyl)-methylene]-5-(2-methoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[hydroxy-(3-methoxyphenyl)-met…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 8.58 -62 0 7 -1 92 429.452 7 ↓
Mid Mid (pH 6-8) 2.00 10.32 -12.68 0 7 0 86 430.46 7 ↓
Mid Mid (pH 6-8) 2.58 9.92 -13.31 1 7 0 89 430.46 7 ↓
Lo Low (pH 4.5-6) 2.58 10.2 -40.23 2 7 1 90 431.468 7 ↓
Lo Low (pH 4.5-6) 2.00 10.6 -44.22 1 7 1 87 431.468 7 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )